# Conflicts:
#	DESCRIPTION
#	R/createMassBank.R
#	R/formulaCalculator.R
#	R/leMsMs.r
#	R/leMsmsRaw.R

Keep original m/z in recalibrated spectra, achieved through @properties, and correctly propagate it (as well as any other properties) through the annotation

Fixed multiplicity filtering to work identical to 2.3.1 version: removing peaks which fall out due to "refiltering", where formulas may get multiplicity 1. See #219

do problematicPeaks spectra-wise, then aggregate. Old workspace now successfully loading, but without recalibration models

Fixing loading old workspaces by re-processing aggregation and multiplicity filtering. Currently not yet working: problematic peaks detection

Do not write out empty PUBLICATION tags.

Typo :)

enable unit tests, add another for for empty generated.formula(), closes #199, add NEWS, bump version

Move base URL of CTS from http to https

Change order of ION_MODE and IONIZATION to be compliant with specification

closes #209